Vitas-M small molecule compound
4-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylammonio)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}-2,6-dibromophenolate
Catalog ID
STL149118
SMILES C[NH+](Cc1c(nnn1c1nonc1N)C(=O)N/N=C/c1cc(Br)c(c(c1)Br)[O-])C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C15H15Br2N9O3 MW 529.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15Br2N9O3/c1-25(2)6-10-11(20-24-26(10)14-13(18)22-29-23-14)15(28)21-19-5-7-3-8(16)12(27)9(17)4-7/h3-5,27H,6H2,1-2H3,(H2,18,22)(H,21,28)/b19-5+InChIKey
LWYILZIXVOHCCV-PTXOJBNSSA-NSynonyms
500271-75-04((E)((1(4amino125oxadiazol3yl)5((dimethylazaniumyl)methyl)triazole4carbonyl)hydrazinylidene)methyl)26dibromophenolate
4((E)(2((1(4amino125oxadiazol3yl)5((dimethylammonio)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)26dibromophenolate
500271750
C(NH+)(C)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC(=C(C(=C3)Br)(O))Br
C(NH+)(Cc1c(nnn1c1nonc1N)C(=O)NN=Cc1cc(Br)c(c(c1)Br)(O))C
InChI=1SC15H15Br2N9O3c125(2)61011(202426(10)1413(18)22292314)15(28)21195738(16)12(27)9(17)47h3527H6H212H3(H21822)(H2128)b195+
MFCD03302781
ZINC000001754852
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